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(R*,S*)-ALPHA-(ACETYLAMINO)-5-CHLORO-2-THIOPHENEPROPANOIC_ACID
SpectraBase Compound ID 3JjjwfL7LAd
InChI InChI=1S/C9H10ClNO3S/c1-5(12)11-7(9(13)14)4-6-2-3-8(10)15-6/h2-3,7H,4H2,1H3,(H,11,12)(H,13,14)
InChIKey FAYUTNBVEKWALG-UHFFFAOYSA-N
Mol Weight 247.7 g/mol
Molecular Formula C9H10ClNO3S
Exact Mass 247.006992 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 85XlmwN9MsY
Name (R*,S*)-ALPHA-(ACETYLAMINO)-5-CHLORO-2-THIOPHENEPROPANOIC_ACID
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H10ClNO3S
InChI InChI=1S/C9H10ClNO3S/c1-5(12)11-7(9(13)14)4-6-2-3-8(10)15-6/h2-3,7H,4H2,1H3,(H,11,12)(H,13,14)
InChIKey FAYUTNBVEKWALG-UHFFFAOYSA-N
Literature Reference Author C.R.NOE,A.WEIGAND,S.PIRKER
Literature Reference Citation MH.CHEM.,127,1081(1996)
Literature Reference DOI 10.1007/BF00807581
Molecular Weight 247.696 g/mol
Solvent DMSO-D6
Source File Reference UWMZ708